Cas no 875662-89-8 (6α-Hydroxycroomine)

6α-Hydroxycroomine structure
6α-Hydroxycroomine structure
Product Name:6α-Hydroxycroomine
CAS No:875662-89-8
MF:C18H27NO5
MW:337.41
CID:5091027
Update Time:2024-03-03

6α-Hydroxycroomine Chemical and Physical Properties

Names and Identifiers

    • 6-Hydroxycroomine
    • 6'-hydroxy-4-methyl-3'-(4-methyl-5-oxooxolan-2-yl)-octahydrospiro[oxolane-2,9'-pyrrolo[1,2-a]azepin]-5-one
    • 6alpha-Hydroxycroomine
    • 6α-Hydroxycroomine
    • Inchi: 1S/C18H27NO5/c1-10-7-14(23-16(10)21)13-3-4-15-18(8-11(2)17(22)24-18)6-5-12(20)9-19(13)15/h10-15,20H,3-9H2,1-2H3/t10-,11+,12+,13-,14-,15-,18-/m0/s1
    • InChI Key: XGXUPXRXXQAJRW-ZWLIXYBTSA-N
    • SMILES: O1[C@@]2(C[C@@H](C)C1=O)[C@@]1([H])N([C@@]([C@@]3([H])OC(=O)[C@@H](C)C3)([H])CC1)C[C@@H](CC2)O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 24
  • XLogP3: 1.149

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